4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid

C12H21NO2 — CID 138986360

IUPAC4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CC1CC1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H21NO2/c1-13(8-9-2-3-9)11-6-4-10(5-7-11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyNGKCNVRUEXRJLM-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds4

About 4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid

4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 138986360) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
PubChem CID138986360
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(CC1CC1)C1CCC(C(=O)O)CC1
InChIInChI=1S/C12H21NO2/c1-13(8-9-2-3-9)11-6-4-10(5-7-11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyNGKCNVRUEXRJLM-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]cyclohexane-1-carboxylic acid
CID 115149122
N-(cyclopropylmethyl)-N-methylcyclopropanamine
CID 67976432
4-[methyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 115149052
3-[cyclohexylmethyl(methyl)amino]cyclobutane-1-carboxylic acid
CID 117042998
4-[(2-boronocyclohexyl)methyl-methylamino]cyclohexane-1-carboxylic acid
CID 140644261
4-[cyclopropyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 83831391
4-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carboxylic acid
CID 117029342
4-[(4-bromo-N-methylanilino)methyl]cyclohexane-1-carboxylic acid
CID 115221901
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
4-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783349
3-[cyclopropylmethyl(methyl)amino]pyrrolidine-1-carboxylic acid
CID 174821287
4-[[bis(2-methylpropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 21470529

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid (CID 138986360) is 4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid is CN(CC1CC1)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NGKCNVRUEXRJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13(8-9-2-3-9)11-6-4-10(5-7-11)12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid?
4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 138986360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).